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Quantum chemical explanation and APT atomic charge index of substituent orienting effect proposed by DFT calculation and MO Theory.

Authors : Shi, Hongchang¹ (AUTHOR)

Source: Journal of Physical Organic Chemistry. Jun2024, Vol. 37 Issue 6, p1-23. 23p.

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Academic Journal

Substituent effects on the stretching vibration frequencies of C=C bridge bond in aryl ethylene with furyl or thienyl group.

Authors : Wang, Linyan¹ (AUTHOR); Cao, Chaotun² (AUTHOR) ; Qu, Junyan² (AUTHOR)

Source: Journal of Physical Organic Chemistry. Feb2023, Vol. 36 Issue 2, p1-6. 6p.

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A G4 approach to computing the Hammett substituent constants σp, σm, σ−, σ+, and σ+m.

Authors : Yett, Ariana¹ (AUTHOR); Rablen, Paul R.¹ (AUTHOR)

Source: Journal of Physical Organic Chemistry. Feb2023, Vol. 36 Issue 2, p1-14. 14p.

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Academic Journal

Determination and application of the excited‐state substituent constants of pyridyl and substituted phenyl groups.

Authors : Cao, Chao‐Tun¹ (AUTHOR); Yan, Lu¹ (AUTHOR); Cao, Chenzhong¹ (AUTHOR)

Source: Journal of Physical Organic Chemistry. Sep2021, Vol. 34 Issue 9, p1-9. 9p.

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Academic Journal

A quest for substituent effects on novel diamino(phosphino)phosphinidenes using density functional theory method.

Authors : Khorshidvand, Neda¹ (AUTHOR) ; Kassaee, Mohamad Zaman¹ (AUTHOR)

Source: Journal of Physical Organic Chemistry. Jun2022, Vol. 35 Issue 6, p1-9. 9p.

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Academic Journal

Substituent effects of fused Hammick silylenes via density functional theory survey.

Authors : Heravi, Mohammad Reza Poor¹; Habibzadeh, Sepideh¹ ; Ebadi, Abdol Ghaffar²

Source: Journal of Physical Organic Chemistry. Nov2021, Vol. 34 Issue 11, p1-10. 10p.

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Academic Journal

Substituent effects of fused Hammick germylenes: Estimating the stability and reactivity using density functional theory.

Authors : Elveny, Marischa¹ ; Alrazzak, Nour Abd²; Aljeboree, Aseel M.²

Source: Journal of Physical Organic Chemistry. Nov2021, Vol. 34 Issue 11, p1-12. 12p.

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Academic Journal

Influence of substituent and push‐pull effect on the chemical shifts of the carbon in bridging bond of 1‐furyl/thienyl‐2‐arylethylene.

Authors : Cao, Chao‐tun¹ (AUTHOR); Yan, Lu¹ (AUTHOR); Cao, Chenzhong¹ (AUTHOR)

Source: Journal of Physical Organic Chemistry. Apr2021, Vol. 34 Issue 4, p1-8. 8p.

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Academic Journal

A time‐dependent density function theory study on the substituent effect on excited‐state intramolecular proton transfer of 4′‐methoxy‐3‐hydroxyl flavone.

Authors : Ni, Mei¹ (AUTHOR); Liang, Xiuning¹ (AUTHOR); Fang, Hua¹ (AUTHOR)

Source: Journal of Physical Organic Chemistry. Sep2021, Vol. 34 Issue 9, p1-10. 10p.

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Academic Journal

Substituent effects on the stability of N-heterocyclic germylenes using density functional theory.

Authors : Liu Zhong-yang¹; He Long-qiang¹ ; Ahmadi, Sheida²

Source: Journal of Physical Organic Chemistry. Nov2021, Vol. 34 Issue 11, p1-11. 11p.

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Quantum chemical explanation and APT atomic charge index of substituent orienting effect proposed by DFT calculation and MO Theory.

Substituent effects on the stretching vibration frequencies of C=C bridge bond in aryl ethylene with furyl or thienyl group.

A G4 approach to computing the Hammett substituent constants σp, σm, σ−, σ+, and σ+m.

Determination and application of the excited‐state substituent constants of pyridyl and substituted phenyl groups.

A quest for substituent effects on novel diamino(phosphino)phosphinidenes using density functional theory method.

Substituent effects of fused Hammick silylenes via density functional theory survey.

Substituent effects of fused Hammick germylenes: Estimating the stability and reactivity using density functional theory.

Influence of substituent and push‐pull effect on the chemical shifts of the carbon in bridging bond of 1‐furyl/thienyl‐2‐arylethylene.

A time‐dependent density function theory study on the substituent effect on excited‐state intramolecular proton transfer of 4′‐methoxy‐3‐hydroxyl flavone.

Substituent effects on the stability of N-heterocyclic germylenes using density functional theory.

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